Lithium Intercalation into the Excitonic Insulator Candidate Ta₂NiSe₅.

ABSTRACT: A new reduced phase derived from the excitonic insulator candidate Ta₂NiSe₅ has been synthesized via the intercalation of lithium. LiTa₂NiSe₅ crystallizes in the orthorhombic space group Pmnb (no. 62) with lattice parameters a = 3.50247(3) Å, b = 13.4053(4) Å, c = 15.7396(2) Å, and Z = 4, with an increase of the unit cell volume by 5.44(1)% compared with Ta₂NiSe₅. Significant rearrangement of the Ta-Ni-Se layers is observed, in particular a very significant relative displacement of the layers compared to the parent phase, similar to that which occurs under hydrostatic pressure. Neutron powder diffraction experiments and computational analysis confirm that Li occupies a distorted triangular

SUBMITTER: Hyde PA 

PROVIDER: S-EPMC10394660 | biostudies-literature | 2023 Jul

REPOSITORIES: biostudies-literature